Geometry & MOs

Info

ID:	31658
PubChem CID:	855988
Reduced:	ClSN2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	284.061949
ΔH_f, kcal/mol:	9.46
Dipole, Da:	5.12
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)O)Cl

DOS

IR

Vibrations